SCHEMBL7751970

SCHEMBL7751970

O=C(CC(F)(F)F)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
GRM4 Q14833 1/20 0.53
BACE1 P56817 2/20 0.46
KDR P35968 1/20 0.46
F2R P25116 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
PDK1 Q15118 1/20 0.46
CDK8 P49336 1/20 0.45
BLM P54132 1/20 0.45
WRN Q14191 1/20 0.45
AKT1 P31749 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPT P10636 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9892896 0.84 TSHR (0.63) ARGRM4KDRMEN1NPC1
SCHEMBL4006280 0.84 GRM4 (0.57) ARGRM4KDRKCNJ5KCNJ3
SCHEMBL7752723 0.83 MAPT (0.59) KDRF2RKCNJ5KCNJ3MEN1
SCHEMBL1904289 0.80 AR (0.64) ARGRM4KDRPDK1CDK8
SCHEMBL8138993 0.80 AR (0.50) ARGRM4KDRKCNJ5KCNJ3
SCHEMBL8530877 0.79 AR (0.58) ARGRM4KDRCDK8BLM
SCHEMBL463590 0.79 AR (0.62) ARGRM4KDRCDK8BLM
SCHEMBL20560568 0.79 GRM4 (0.61) ARGRM4KDRPDK1CDK8
SCHEMBL31356647 0.79 AR (0.58) ARGRM4KDRCDK8BLM
SCHEMBL1380778 0.79 AR (0.58) ARGRM4KDRCDK8BLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597304-B1 Use of substituted benzimidazoles for combating parasitic protozoas BAYER AG (DE) 2001-01-10 EP disclosed
US-5877195-A INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-03-02 US disclosed
EP-0667863-B1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1998-06-03 EP disclosed
US-5585395-A INSECTICIDES, MITICIDES, FUNGICIDES, HERBICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5482956-A ANTIPROTOZOA AGENTS FOR ANIMALS OR INSECTS BAYER AKTIENGESELLSCHAFT (DE) 1996-01-09 US disclosed
EP-0667862-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP disclosed
EP-0667863-A1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP disclosed
EP-0667861-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AG (DE) 1995-08-23 EP disclosed
WO-1994011351-A1 2-PERHALOGENALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994011352-A1 2-CYANO-SUBSTITUTED BENZIMIDAZOLES, THEIR PRODUCTION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994011350-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed
WO-1994011349-A1 2-FLUOROALKYL-SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1994-05-26 WO disclosed